G786-0080 Screening compound: 2-{[4-amino-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-2-yl]amino}ethan-1-ol

G786-0080 Screening compound: 2-{[4-amino-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-2-yl]amino}ethan-1-ol
G786-0080 Screening compound: 2-{[4-amino-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-2-yl]amino}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0080
2-{[4-amino-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-2-yl]amino}ethan-1-ol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G786-0080

Molecular Formula

C12H21N7O3 (C12 H21 N7 O3)

Compound Name

2-{[4-amino-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-2-yl]amino}ethan-1-ol

IUPAC name

2-{[4-amino-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-2-yl]amino}ethan-1-ol

SMILES

CCN(CC1)CCN1c(nc(NCCO)nc1N)c1[N+]([O-])=O

InChI

InChI=1S/C12H21N7O3/c1-2-17-4-6-18(7-5-17)11-9(19(21)22)10(13)15-12(16-11)14-3-8-20/h20H,2-8H2,1H3,(H3,13,14,15,16)

InChI Key

OQEQGJIHXTULMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04019335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.558

Distribution Coefficient, logD

-0.010

Water Solubility, LogSw

-1.10

Polar Surface Area

107.346

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

G786-0080 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G786-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0080?
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What is the minimum amount of G786-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0080
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G786-0080 available by request